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SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O

InChI Key: InChIKey=LQLHKLBZQCFHPP-WIVDLTSQSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50469382   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50469382
PNG
(CHEMBL4283991)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C68H86N12O13/c1-41-34-47(81)35-42(2)48(41)40-49(70)68(93)80-33-17-27-57(80)67(92)79-56(39-46-24-13-6-14-25-46)66(91)78-55(38-45-22-11-5-12-23-45)65(90)75-52(29-31-59(83)84)62(87)77-54(37-44-20-9-4-10-21-44)64(89)74-51(28-30-58(71)82)61(86)76-53(36-43-18-7-3-8-19-43)63(88)73-50(60(72)85)26-15-16-32-69/h3-14,18-25,34-35,49-57,81H,15-17,26-33,36-40,69-70H2,1-2H3,(H2,71,82)(H2,72,85)(H,73,88)(H,74,89)(H,75,90)(H,76,86)(H,77,87)(H,78,91)(H,79,92)(H,83,84)/t49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

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 5n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting

J Med Chem 61: 9784-9789 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01282
BindingDB Entry DOI: 10.7270/Q2F76G8Q
More data for this
Ligand-Target Pair